cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H20N2OS — CID 53016842

IUPACcyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C14H20N2OS/c1-2-12-9-18-13(15-12)11-4-3-7-16(8-11)14(17)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyHXNQHWOLZMCSDG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds3

About cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 53016842) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID53016842
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Namecyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C14H20N2OS/c1-2-12-9-18-13(15-12)11-4-3-7-16(8-11)14(17)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyHXNQHWOLZMCSDG-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 53016842) is cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1csc(C2CCCN(C(=O)C3CC3)C2)n1.
What is the InChIKey of cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HXNQHWOLZMCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-12-9-18-13(15-12)11-4-3-7-16(8-11)14(17)10-5-6-10/h9-11H,2-8H2,1H3.
What are the key properties of cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 264.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53016842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).